F9Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL7 | C06 | sing | 1.74Å | 1.73Å | |
| C06 | N08 | doub | 1.32Å | 1.46Å | Aromatic |
| C06 | C05 | sing | 1.38Å | 1.51Å | Aromatic |
| N08 | C02 | sing | 1.32Å | 1.46Å | Aromatic |
| C05 | C04 | doub | 1.40Å | 1.47Å | Aromatic |
| C02 | C01 | sing | 1.51Å | 1.51Å | |
| C02 | C03 | doub | 1.38Å | 1.51Å | Aromatic |
| C04 | C03 | sing | 1.40Å | 1.47Å | Aromatic |
| C04 | C09 | sing | 1.48Å | 1.51Å | |
| N15 | N14 | doub | 1.29Å | 1.40Å | Aromatic |
| N15 | C09 | sing | 1.33Å | 1.41Å | Aromatic |
| N14 | C12 | sing | 1.33Å | 1.45Å | Aromatic |
| C09 | C10 | doub | 1.41Å | 1.49Å | Aromatic |
| C12 | N13 | sing | 1.38Å | 1.41Å | |
| C12 | N11 | doub | 1.33Å | 1.42Å | Aromatic |
| C10 | N11 | sing | 1.33Å | 1.39Å | Aromatic |
| C10 | C16 | sing | 1.48Å | 1.51Å | |
| C22 | C16 | doub | 1.40Å | 1.51Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.51Å | Aromatic |
| C16 | C17 | sing | 1.39Å | 1.51Å | Aromatic |
| C21 | C19 | doub | 1.39Å | 1.51Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.51Å | Aromatic |
| C19 | C18 | sing | 1.39Å | 1.51Å | Aromatic |
| C19 | F20 | sing | 1.35Å | 1.34Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C03 | H4 | sing | 1.08Å | 1.08Å | |
| C05 | H5 | sing | 1.08Å | 1.08Å | |
| N13 | H6 | sing | 0.97Å | 1.00Å | |
| N13 | H7 | sing | 0.97Å | 1.00Å | |
| C17 | H8 | sing | 1.08Å | 1.08Å | |
| C18 | H9 | sing | 1.08Å | 1.08Å | |
| C21 | H10 | sing | 1.08Å | 1.08Å | |
| C22 | H11 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL7 | C06 | N08 | 119.9° | 119.6° |
| CL7 | C06 | C05 | 119.6° | 119.6° |
| N08 | C06 | C05 | 120.5° | 120.8° |
| C06 | N08 | C02 | 120.5° | 122.0° |
| C06 | C05 | C04 | 119.4° | 119.0° |
| C06 | C05 | H5 | 120.3° | 120.5° |
| N08 | C02 | C01 | 119.7° | 119.5° |
| N08 | C02 | C03 | 119.4° | 120.9° |
| C05 | C04 | C03 | 119.8° | 118.2° |
| C05 | C04 | C09 | 120.3° | 120.9° |
| C04 | C05 | H5 | 120.3° | 120.5° |
| C01 | C02 | C03 | 120.9° | 119.6° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H2 | 109.5° | 109.5° |
| C02 | C01 | H3 | 109.4° | 109.4° |
| C02 | C03 | C04 | 120.3° | 119.0° |
| C02 | C03 | H4 | 119.8° | 120.4° |
| C03 | C04 | C09 | 119.8° | 120.9° |
| C04 | C03 | H4 | 119.8° | 120.5° |
| C04 | C09 | N15 | 117.4° | 120.5° |
| C04 | C09 | C10 | 123.2° | 120.5° |
| N14 | N15 | C09 | 120.7° | 120.4° |
| N15 | N14 | C12 | 119.9° | 121.6° |
| N15 | C09 | C10 | 119.4° | 119.0° |
| N14 | C12 | N13 | 120.2° | 119.5° |
| N14 | C12 | N11 | 120.2° | 121.0° |
| C09 | C10 | N11 | 119.3° | 118.5° |
| C09 | C10 | C16 | 123.8° | 120.8° |
| N13 | C12 | N11 | 119.7° | 119.5° |
| C12 | N13 | H6 | 109.5° | 120.0° |
| C12 | N13 | H7 | 109.5° | 120.0° |
| C12 | N11 | C10 | 120.4° | 119.4° |
| N11 | C10 | C16 | 116.9° | 120.7° |
| C10 | C16 | C22 | 118.2° | 120.1° |
| C10 | C16 | C17 | 121.8° | 120.1° |
| C16 | C22 | C21 | 120.4° | 119.9° |
| C22 | C16 | C17 | 120.0° | 119.8° |
| C16 | C22 | H11 | 119.8° | 120.1° |
| C22 | C21 | C19 | 119.5° | 120.1° |
| C22 | C21 | H10 | 120.2° | 119.9° |
| C21 | C22 | H11 | 119.8° | 120.1° |
| C16 | C17 | C18 | 119.8° | 119.9° |
| C16 | C17 | H8 | 120.1° | 120.1° |
| C21 | C19 | C18 | 120.0° | 120.2° |
| C21 | C19 | F20 | 120.0° | 119.8° |
| C19 | C21 | H10 | 120.2° | 120.0° |
| C17 | C18 | C19 | 120.2° | 120.1° |
| C18 | C17 | H8 | 120.1° | 120.0° |
| C17 | C18 | H9 | 119.9° | 120.0° |
| C18 | C19 | F20 | 120.0° | 119.9° |
| C19 | C18 | H9 | 119.9° | 119.9° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.4° | 109.4° |
| H6 | N13 | H7 | 109.5° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL7 | C06 | N08 | C05 | 179.8° | 179.5° |
| CL7 | C06 | N08 | C02 | 180.0° | 180.0° |
| CL7 | C06 | C05 | C04 | 179.4° | 179.8° |
| CL7 | C06 | C05 | H5 | 0.5° | 0.2° |
| N08 | C06 | C05 | C04 | 0.7° | 0.2° |
| C06 | N08 | C02 | C01 | 179.9° | 179.8° |
| C06 | N08 | C02 | C03 | 0.0° | 0.5° |
| N08 | C06 | C05 | H5 | 179.3° | 179.7° |
| C05 | C06 | N08 | C02 | 0.2° | 0.5° |
| C06 | C05 | C04 | H5 | 180.0° | 180.0° |
| C06 | C05 | C04 | C03 | 1.0° | 0.0° |
| C06 | C05 | C04 | C09 | 179.9° | 180.0° |
| N08 | C02 | C01 | C03 | 179.8° | 179.7° |
| N08 | C02 | C03 | C04 | 0.2° | 0.3° |
| N08 | C02 | C01 | H1 | 0.0° | 90.3° |
| N08 | C02 | C01 | H2 | 120.0° | 29.8° |
| N08 | C02 | C01 | H3 | 120.0° | 149.7° |
| N08 | C02 | C03 | H4 | 179.8° | 179.8° |
| C05 | C04 | C03 | C02 | 0.7° | 0.0° |
| C05 | C04 | C03 | C09 | 178.9° | 180.0° |
| C05 | C04 | C09 | N15 | 131.4° | 144.7° |
| C05 | C04 | C09 | C10 | 48.6° | 35.0° |
| C05 | C04 | C03 | H4 | 179.3° | 180.0° |
| C01 | C02 | C03 | C04 | 179.7° | 180.0° |
| C02 | C01 | H1 | H2 | 120.0° | 120.1° |
| C02 | C01 | H1 | H3 | 120.0° | 120.0° |
| C02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C01 | C02 | C03 | H4 | 0.4° | 0.1° |
| C02 | C03 | C04 | H4 | 180.0° | 179.9° |
| C02 | C03 | C04 | C09 | 179.6° | 180.0° |
| C03 | C02 | C01 | H1 | 179.8° | 90.0° |
| C03 | C02 | C01 | H2 | 59.8° | 150.0° |
| C03 | C02 | C01 | H3 | 60.1° | 30.0° |
| C03 | C04 | C09 | N15 | 47.5° | 35.3° |
| C03 | C04 | C09 | C10 | 132.5° | 145.0° |
| C03 | C04 | C05 | H5 | 179.1° | 180.0° |
| C04 | C09 | N15 | N14 | 179.8° | 179.8° |
| C04 | C09 | N15 | C10 | 180.0° | 179.7° |
| C04 | C09 | C10 | N11 | 179.5° | 180.0° |
| C04 | C09 | C10 | C16 | 0.3° | 0.1° |
| C09 | C04 | C03 | H4 | 0.4° | 0.1° |
| C09 | C04 | C05 | H5 | 0.2° | 0.0° |
| N14 | N15 | C09 | C10 | 0.2° | 0.5° |
| N15 | N14 | C12 | N13 | 180.0° | 179.7° |
| N15 | N14 | C12 | N11 | 0.1° | 0.3° |
| C09 | N15 | N14 | C12 | 0.1° | 0.6° |
| N15 | C09 | C10 | N11 | 0.5° | 0.3° |
| N15 | C09 | C10 | C16 | 179.6° | 179.8° |
| N14 | C12 | N13 | N11 | 180.0° | 180.0° |
| N14 | C12 | N11 | C10 | 0.2° | 0.1° |
| N14 | C12 | N13 | H6 | 0.0° | 179.9° |
| N14 | C12 | N13 | H7 | 120.0° | 0.0° |
| C09 | C10 | N11 | C12 | 0.5° | 0.0° |
| C09 | C10 | N11 | C16 | 179.2° | 179.9° |
| C09 | C10 | C16 | C22 | 138.8° | 35.2° |
| C09 | C10 | C16 | C17 | 42.6° | 145.0° |
| N13 | C12 | N11 | C10 | 179.7° | 180.0° |
| C12 | N13 | H6 | H7 | 120.0° | 179.9° |
| C12 | N11 | C10 | C16 | 179.7° | 180.0° |
| N11 | C12 | N13 | H6 | 180.0° | 0.0° |
| N11 | C12 | N13 | H7 | 60.0° | 180.0° |
| N11 | C10 | C16 | C22 | 40.5° | 144.7° |
| N11 | C10 | C16 | C17 | 138.2° | 35.1° |
| C10 | C16 | C22 | C17 | 178.7° | 179.8° |
| C10 | C16 | C22 | C21 | 179.7° | 179.8° |
| C10 | C16 | C17 | C18 | 180.0° | 180.0° |
| C10 | C16 | C17 | H8 | 0.0° | 0.1° |
| C10 | C16 | C22 | H11 | 0.3° | 0.0° |
| C16 | C22 | C21 | H11 | 180.0° | 179.8° |
| C16 | C22 | C21 | C19 | 0.4° | 0.5° |
| C22 | C16 | C17 | C18 | 1.4° | 0.2° |
| C22 | C16 | C17 | H8 | 178.6° | 179.8° |
| C16 | C22 | C21 | H10 | 179.6° | 179.7° |
| C21 | C22 | C16 | C17 | 1.0° | 0.4° |
| C22 | C21 | C19 | H10 | 180.0° | 179.8° |
| C22 | C21 | C19 | C18 | 0.2° | 0.2° |
| C22 | C21 | C19 | F20 | 179.9° | 179.7° |
| C16 | C17 | C18 | H8 | 180.0° | 179.9° |
| C16 | C17 | C18 | C19 | 1.2° | 0.1° |
| C16 | C17 | C18 | H9 | 178.8° | 180.0° |
| C17 | C16 | C22 | H11 | 179.0° | 179.8° |
| C21 | C19 | C18 | C17 | 0.6° | 0.0° |
| C21 | C19 | C18 | F20 | 179.7° | 179.9° |
| C21 | C19 | C18 | H9 | 179.4° | 180.0° |
| C19 | C21 | C22 | H11 | 179.6° | 179.8° |
| C17 | C18 | C19 | H9 | 180.0° | 180.0° |
| C17 | C18 | C19 | F20 | 179.7° | 180.0° |
| C19 | C18 | C17 | H8 | 178.8° | 180.0° |
| C18 | C19 | C21 | H10 | 179.8° | 180.0° |
| F20 | C19 | C18 | H9 | 0.3° | 0.0° |
| F20 | C19 | C21 | H10 | 0.1° | 0.1° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H8 | C17 | C18 | H9 | 1.2° | 0.0° |
| H10 | C21 | C22 | H11 | 0.4° | 0.0° |
